SCHEMBL20460359

SCHEMBL20460359

COc1cc(C(=O)NC2CCCC2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.63
▸ RAB9A P51151 3/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ GAA P10253 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ DHODH Q02127 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KLK7 P49862 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20460316 0.97 ALOX15 (0.63) ALOX15RAB9AL3MBTL1NPC1MAPT
SCHEMBL13035843 0.81 ALOX15 (0.73) ALOX15
SCHEMBL6889670 0.81 GAA (0.59) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL7971605 0.81 RAB9A (0.56) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6888967 0.81 MAPT (0.57) RAB9AL3MBTL1NPC1MAPTGAA
SCHEMBL2073956 0.80 ALOX15 (0.71) ALOX15MAPTGAA
SCHEMBL20460357 0.80 ALOX15 (0.66) ALOX15KMT2A
SCHEMBL10144833 0.79 ALOX15 (0.49) ALOX15RAB9ANPC1MAPTKMT2A
SCHEMBL23710419 0.79 ALOX15 (0.64) ALOX15RAB9A
SCHEMBL20460301 0.79 ALOX15 (0.64) ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 — — EP disclosed
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